| Name |
2-(3,4-Dihydroxyphenyl)-3-[[2-O-beta-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-1-nenzopyrylium |
| Formula |
C43H49O24.Cl |
| Mw |
984.23023021 |
| CAS RN |
107500-82-3 |
| C_ID |
C00059097
|
| InChIKey |
JRKNMMXQYXWBCJ-XTGBBYIXSA-N |
| InChICode |
InChI=1S/C43H48O24.ClH/c1-59-25-8-16(2-5-21(25)48)3-7-30(50)60-15-29-33(53)36(56)40(67-42-38(58)35(55)32(52)28(14-45)65-42)43(66-29)63-26-12-19-23(61-39(26)17-4-6-20(47)22(49)9-17)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41;/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50);1H/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-;/m1./s1 |
| SMILES |
COc1cc(C=CC(=O)OCC2OC(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1O.[Cl-] |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
|
zoom in
| Organism | Brassica oleracea |
|---|
| Reference | https://doi.org/10.1246/cl.1987.145 |
|---|
|
